6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide

C107H80ClF7N16O24S4 — CID 159544343

IUPAC6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(C(N)=O)ccc1F.CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2ccccc2cc1Cl)CCO3.NC(=O)c1cnc(F)c(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1.O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C28H21ClFN3O5S.C27H22F2N4O6S.C26H19F2N5O6S.C26H18F2N4O7S/c1-39(36,37)32-28(35)25-23(19-7-4-9-31-27(19)34)24-22(13-21(30)18-8-10-38-26(18)24)33(25)14-17-11-15-5-2-3-6-16(15)12-20(17)29;1-13(2)40(37,38)32-27(36)23-21(17-4-3-8-31-26(17)35)22-20(11-19(29)16-7-9-39-24(16)22)33(23)12-15-10-14(25(30)34)5-6-18(15)28;27-17-9-18-20(22-15(17)5-7-39-22)19(16-2-1-6-30-25(16)35)21(26(36)32-40(37,38)14-3-4-14)33(18)11-13-8-12(24(29)34)10-31-23(13)28;27-18-6-3-14(32(35)36)10-13(18)12-31-20-11-19(28)16-7-9-39-24(16)22(20)21(17-2-1-8-29-25(17)33)23(31)26(34)30-40(37,38)15-4-5-15/h2-7,9,11-13H,8,10,14H2,1H3,(H,31,34)(H,32,35);3-11,13H,12H2,1-2H3,(H2,30,34)(H,31,35)(H,32,36);1-2,5-10,14H,3-4,11H2,(H2,29,34)(H,30,35)(H,32,36);1-3,6-11,15H,4-5,12H2,(H,29,33)(H,30,34)
InChIKeyMEPKWEXIVJQSJU-UHFFFAOYSA-N
MW2270.61 g/mol
LogP15.24
Rot. Bonds26

About 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide

6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (PubChem CID 159544343) has the molecular formula C107H80ClF7N16O24S4 and a molecular weight of 2270.61 g/mol. Its IUPAC name is 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.

Molecular Properties

Compound Name6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
PubChem CID159544343
Molecular FormulaC107H80ClF7N16O24S4
Molecular Weight2270.61 g/mol
Exact Mass2268.40
IUPAC Name6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide
SMILESCC(C)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(C(N)=O)ccc1F.CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2ccccc2cc1Cl)CCO3.NC(=O)c1cnc(F)c(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1.O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc([N+](=O)[O-])ccc1F
InChIInChI=1S/C28H21ClFN3O5S.C27H22F2N4O6S.C26H19F2N5O6S.C26H18F2N4O7S/c1-39(36,37)32-28(35)25-23(19-7-4-9-31-27(19)34)24-22(13-21(30)18-8-10-38-26(18)24)33(25)14-17-11-15-5-2-3-6-16(15)12-20(17)29;1-13(2)40(37,38)32-27(36)23-21(17-4-3-8-31-26(17)35)22-20(11-19(29)16-7-9-39-24(16)22)33(23)12-15-10-14(25(30)34)5-6-18(15)28;27-17-9-18-20(22-15(17)5-7-39-22)19(16-2-1-6-30-25(16)35)21(26(36)32-40(37,38)14-3-4-14)33(18)11-13-8-12(24(29)34)10-31-23(13)28;27-18-6-3-14(32(35)36)10-13(18)12-31-20-11-19(28)16-7-9-39-24(16)22(20)21(17-2-1-8-29-25(17)33)23(31)26(34)30-40(37,38)15-4-5-15/h2-7,9,11-13H,8,10,14H2,1H3,(H,31,34)(H,32,35);3-11,13H,12H2,1-2H3,(H2,30,34)(H,31,35)(H,32,36);1-2,5-10,14H,3-4,11H2,(H2,29,34)(H,30,35)(H,32,36);1-3,6-11,15H,4-5,12H2,(H,29,33)(H,30,34)
InChIKeyMEPKWEXIVJQSJU-UHFFFAOYSA-N
XLogP15.24
TPSA594.98 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds26
Heavy Atoms159
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002270.61
LogP ≤ 515.24
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The IUPAC name of 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide (CID 159544343) is 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide.
What is the SMILES notation for 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The canonical SMILES for 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is CC(C)S(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc(C(N)=O)ccc1F.CS(=O)(=O)NC(=O)c1c(-c2ccc[nH]c2=O)c2c3c(c(F)cc2n1Cc1cc2ccccc2cc1Cl)CCO3.NC(=O)c1cnc(F)c(Cn2c(C(=O)NS(=O)(=O)C3CC3)c(-c3ccc[nH]c3=O)c3c4occc4c(F)cc32)c1.O=C(NS(=O)(=O)C1CC1)c1c(-c2ccc[nH]c2=O)c2c3occc3c(F)cc2n1Cc1cc([N+](=O)[O-])ccc1F.
What is the InChIKey of 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
The InChIKey is MEPKWEXIVJQSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21ClFN3O5S.C27H22F2N4O6S.C26H19F2N5O6S.C26H18F2N4O7S/c1-39(36,37)32-28(35)25-23(19-7-4-9-31-27(19)34)24-22(13-21(30)18-8-10-38-26(18)24)33(25)14-17-11-15-5-2-3-6-16(15)12-20(17)29;1-13(2)40(37,38)32-27(36)23-21(17-4-3-8-31-26(17)35)22-20(11-19(29)16-7-9-39-24(16)22)33(23)12-15-10-14(25(30)34)5-6-18(15)28;27-17-9-18-20(22-15(17)5-7-39-22)19(16-2-1-6-30-25(16)35)21(26(36)32-40(37,38)14-3-4-14)33(18)11-13-8-12(24(29)34)10-31-23(13)28;27-18-6-3-14(32(35)36)10-13(18)12-31-20-11-19(28)16-7-9-39-24(16)22(20)21(17-2-1-8-29-25(17)33)23(31)26(34)30-40(37,38)15-4-5-15/h2-7,9,11-13H,8,10,14H2,1H3,(H,31,34)(H,32,35);3-11,13H,12H2,1-2H3,(H2,30,34)(H,31,35)(H,32,36);1-2,5-10,14H,3-4,11H2,(H2,29,34)(H,30,35)(H,32,36);1-3,6-11,15H,4-5,12H2,(H,29,33)(H,30,34).
What are the key properties of 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide?
6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide has a molecular weight of 2270.61 g/mol, XLogP of 15.24, 26 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-carbamoyl-2-fluorophenyl)methyl]-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)-N-propan-2-ylsulfonylfuro[2,3-e]indole-7-carboxamide;6-[(5-carbamoyl-2-fluoro-3-pyridinyl)methyl]-N-cyclopropylsulfonyl-4-fluoro-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide;6-[(3-chloronaphthalen-2-yl)methyl]-4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-2,3-dihydrofuro[2,3-e]indole-7-carboxamide;N-cyclopropylsulfonyl-4-fluoro-6-[(2-fluoro-5-nitrophenyl)methyl]-8-(2-oxo-1H-pyridin-3-yl)furo[2,3-e]indole-7-carboxamide is sourced from PubChem (CID 159544343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).